BAS 12457939
TL;DR: BAS 12457939 (CAS 843630-39-7) is a chemical compound with molecular formula C21H26N6OS and molecular weight 410.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[12-(4-methylpiperazin-1-yl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-7-yl]morpholine
Also Known As: BAS 12457939, 4-(7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)morpholine, 7-(4-methylpiperazin-1-yl)-4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C21H26N6OS |
|---|---|
| Molecular Weight | 410.19 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.18887 |
| Heavy Atoms | 29 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 843630-39-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC=NC3=C2SC4=C3C5=C(CCC5)C(=N4)N6CCOCC6 |
| InChIKey | RTZYCYUVWIFQEB-UHFFFAOYSA-N |
Product Overview
BAS 12457939 (CAS 843630-39-7), with molecular formula C21H26N6OS and molecular weight 410.19 g/mol. IUPAC: 4-[12-(4-methylpiperazin-1-yl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-7-yl]morpholine.
Chemical Property Profile of BAS 12457939
Property Insights of BAS 12457939
The XLogP value of 3.1 indicates that BAS 12457939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12457939. Following Lipinski's Rule of Five, BAS 12457939 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 12457939?
The CAS number of BAS 12457939 is 843630-39-7.
What is the molecular formula of BAS 12457939?
The molecular formula of BAS 12457939 is C21H26N6OS.
What is the molecular weight of BAS 12457939?
The molecular weight of BAS 12457939 is 410.19 g/mol.
Where can I buy BAS 12457939?
You can request a quote for BAS 12457939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12457939?
Yes, KEHONG BIO provides custom synthesis services for BAS 12457939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.